SCHEMBL4333399

SCHEMBL4333399

O=C(NC1(CO)CCOCC1)c1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c2ccccn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAP2K3 P46734 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4327617 0.88 MAP2K3 (0.46) RORCCNR2DGAT2RAD51MAP2K3
SCHEMBL4330621 0.86 RORC (0.42) RORCCNR2DGAT2MAP2K3
SCHEMBL4334549 0.86 HIF1A (0.45) RORCCNR2DGAT2RAD51MAP2K3
SCHEMBL13578207 0.86 DGAT2 (0.46) RORCHPGDCNR2DGAT2RAD51
SCHEMBL4325619 0.86 GAA (0.47) RORCHPGDCNR2DGAT2L3MBTL1
SCHEMBL4327073 0.85 MAP2K3 (0.54) RORCCNR2DGAT2RAD51MAP2K3
SCHEMBL4324747 0.84 OPRD1 (0.41) RORCHPGDCNR2DGAT2L3MBTL1
SCHEMBL4332898 0.84 HIF1A (0.47) RORCCNR2DGAT2MAP2K3
SCHEMBL4335846 0.84 HIF1A (0.46) RORCCNR2RAD51L3MBTL1MAP2K3
SCHEMBL4330451 0.84 HIF1A (0.46) RORCCNR2DGAT2MAP2K3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 RORC 135/4885HPGD 428/4885CNR2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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